SCHEMBL7590963

SCHEMBL7590963

CN(C#N)C(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.50
CTSS P25774 8/20 0.50
CTSB P07858 6/20 0.50
CTSK P43235 6/20 0.50
USP30 Q70CQ3 1/20 0.40
CTSH P09668 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
F2RL1 P55085 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7561468 0.88 CTSS (0.53) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5526075 0.88 SMN1; SMN2 (0.52) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525360 0.88 CTSL (0.50) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7564797 0.85 CTSL (0.48) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5525335 0.85 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5530441 0.85 CTSL (0.69) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5523258 0.82 CTSL (0.74) CTSLCTSSCTSBCTSKSMN1; SMN2
SCHEMBL7478526 0.80 CTSL (0.48) CTSLCTSSCTSBCTSKUSP30
SCHEMBL5518263 0.80 CTSL (0.58) CTSLCTSSCTSBCTSKUSP30
SCHEMBL7539158 0.80 CTSL (0.55) CTSLCTSSCTSBCTSKUSP30

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed